7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-5H,6H,7H,8H-imidazo[1,5-a]pyrazine

• ChemBase ID: 511634
• Molecular Formular: C17H23N3O
• Molecular Mass: 285.38402
• Monoisotopic Mass: 285.18411237
• SMILES: [C@@]12(C(=C)C([C@H](C1)CC2)(C)C)C(=O)N1Cc2n(cnc2)CC1
• Canonical SMILES: O=C([C@@]12CC[C@@H](C1)C(C2=C)(C)C)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C17H23N3O/c1-12-16(2,3)13-4-5-17(12,8-13)15(21)19-6-7-20-11-18-9-14(20)10-19/h9,11,13H,1,4-8,10H2,2-3H3/t13-,17-/m0/s1
• InChIKey: GVKBNGGNOXLHLI-GUYCJALGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
• IUPAC Traditional name: 7-[(1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-5H,6H,8H-imidazo[1,5-a]pyrazine
• Synonyms: 7-{[(1S*,4S*)-3,3-dimethyl-2-methylenebicyclo[2.2.1]hept-1-yl]carbonyl}-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0967749
• LogD (pH = 7.4): 1.5380852
• Log P: 1.5698997
• Molar Refractivity: 81.8303 cm^3
• Polarizability: 31.699669 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.08
• LOG S: -3.06
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 1